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	hartrees
Energy at 0K	-331.225414
Energy at 298.15K	-331.220171
Nuclear repulsion energy	62.720751

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3060	2928	4.92
2	A₁	2229	2133	65.24
3	A₁	1297	1241	18.85
4	A₁	943	902	225.01
5	A₁	703	673	10.24
6	A₂	196	187	0.00
7	E	3146	3010	7.29
7	E	3146	3010	7.29
8	E	2231	2134	136.93
8	E	2231	2134	136.97
9	E	1466	1403	5.20
9	E	1466	1403	5.20
10	E	961	919	41.47
10	E	961	919	41.47
11	E	893	854	71.29
11	E	893	854	71.29
12	E	522	499	9.81
12	E	522	499	9.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.243
Si2	0.000	0.000	0.634
H3	0.000	-1.020	-1.633
H4	-0.884	0.510	-1.633
H5	0.884	0.510	-1.633
H6	0.000	1.393	1.160
H7	-1.206	-0.696	1.160
H8	1.206	-0.696	1.160

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.8776	1.0919	1.0919	1.0919	2.7778	2.7778	2.7778
Si2	1.8776		2.4858	2.4858	2.4858	1.4888	1.4888	1.4888
H3	1.0919	2.4858		1.7672	1.7672	3.6906	3.0590	3.0590
H4	1.0919	2.4858	1.7672		1.7672	3.0590	3.0590	3.6906
H5	1.0919	2.4858	1.7672	1.7672		3.0590	3.6906	3.0590
H6	2.7778	1.4888	3.6906	3.0590	3.0590		2.4125	2.4125
H7	2.7778	1.4888	3.0590	3.0590	3.6906	2.4125		2.4125
H8	2.7778	1.4888	3.0590	3.6906	3.0590	2.4125	2.4125

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.678	C1	Si2	H7	110.678
C1	Si2	H8	110.678	Si2	C1	H3	110.875
Si2	C1	H4	110.875	Si2	C1	H5	110.875
H3	C1	H4	108.031	H3	C1	H5	108.031
H4	C1	H5	108.031	H6	Si2	H7	108.238
H6	Si2	H8	108.238	H7	Si2	H8	108.238

All results from a given calculation for CH₃SiH₃ (methyl silane)

using model chemistry: mPW1PW91/6-311G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	-0.665
2	Si	0.559
3	H	0.152
4	H	0.152
5	H	0.152
6	H	-0.117
7	H	-0.117
8	H	-0.117

<r²>	50.267
(<r²>)^1/2	7.090

All results from a given calculation for CH3SiH3 (methyl silane)

using model chemistry: mPW1PW91/6-311G**

States and conformations

All results from a given calculation for CH₃SiH₃ (methyl silane)